2-anilino-1-benzothiophene-3-carbonitrile

C15H10N2S — CID 139187856

IUPAC2-anilino-1-benzothiophene-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)sc2ccccc12
InChIInChI=1S/C15H10N2S/c16-10-13-12-8-4-5-9-14(12)18-15(13)17-11-6-2-1-3-7-11/h1-9,17H
InChIKeyWIWYUMOGDFKGED-UHFFFAOYSA-N
MW250.33 g/mol
LogP4.52
Rot. Bonds2

About 2-anilino-1-benzothiophene-3-carbonitrile

2-anilino-1-benzothiophene-3-carbonitrile (PubChem CID 139187856) has the molecular formula C15H10N2S and a molecular weight of 250.33 g/mol. Its IUPAC name is 2-anilino-1-benzothiophene-3-carbonitrile.

Molecular Properties

Compound Name2-anilino-1-benzothiophene-3-carbonitrile
PubChem CID139187856
Molecular FormulaC15H10N2S
Molecular Weight250.33 g/mol
Exact Mass250.06
IUPAC Name2-anilino-1-benzothiophene-3-carbonitrile
SMILESN#Cc1c(Nc2ccccc2)sc2ccccc12
InChIInChI=1S/C15H10N2S/c16-10-13-12-8-4-5-9-14(12)18-15(13)17-11-6-2-1-3-7-11/h1-9,17H
InChIKeyWIWYUMOGDFKGED-UHFFFAOYSA-N
XLogP4.52
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-1-benzothiophene-3-carbonitrile?
The IUPAC name of 2-anilino-1-benzothiophene-3-carbonitrile (CID 139187856) is 2-anilino-1-benzothiophene-3-carbonitrile.
What is the SMILES notation for 2-anilino-1-benzothiophene-3-carbonitrile?
The canonical SMILES for 2-anilino-1-benzothiophene-3-carbonitrile is N#Cc1c(Nc2ccccc2)sc2ccccc12.
What is the InChIKey of 2-anilino-1-benzothiophene-3-carbonitrile?
The InChIKey is WIWYUMOGDFKGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2S/c16-10-13-12-8-4-5-9-14(12)18-15(13)17-11-6-2-1-3-7-11/h1-9,17H.
What are the key properties of 2-anilino-1-benzothiophene-3-carbonitrile?
2-anilino-1-benzothiophene-3-carbonitrile has a molecular weight of 250.33 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-1-benzothiophene-3-carbonitrile is sourced from PubChem (CID 139187856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).